8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide

C27H34N2O7 — CID 159103073

IUPAC8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
SMILESCN(C)CCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCCCC(=O)NO)cc3o2)cc1
InChIInChI=1S/C27H34N2O7/c1-29(2)13-15-35-20-11-9-19(10-12-20)24-18-23(31)27-22(30)16-21(17-25(27)36-24)34-14-7-5-3-4-6-8-26(32)28-33/h9-12,16-18,30,33H,3-8,13-15H2,1-2H3,(H,28,32)
InChIKeyKDNIUPHOMCZKPT-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.33
Rot. Bonds14

About 8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide

8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide (PubChem CID 159103073) has the molecular formula C27H34N2O7 and a molecular weight of 498.58 g/mol. Its IUPAC name is 8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide.

Molecular Properties

Compound Name8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
PubChem CID159103073
Molecular FormulaC27H34N2O7
Molecular Weight498.58 g/mol
Exact Mass498.24
IUPAC Name8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
SMILESCN(C)CCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCCCC(=O)NO)cc3o2)cc1
InChIInChI=1S/C27H34N2O7/c1-29(2)13-15-35-20-11-9-19(10-12-20)24-18-23(31)27-22(30)16-21(17-25(27)36-24)34-14-7-5-3-4-6-8-26(32)28-33/h9-12,16-18,30,33H,3-8,13-15H2,1-2H3,(H,28,32)
InChIKeyKDNIUPHOMCZKPT-UHFFFAOYSA-N
XLogP4.33
TPSA121.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 162668963
N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide
CID 162676107
N-hydroxy-6-[5-hydroxy-4-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-7-yl]oxyhexanamide;hydrochloride
CID 162676106
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
5-hydroxy-7-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
CID 131859007
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
5-hydroxy-7-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]-2-[4-[2-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]ethoxy]phenyl]chromen-4-one
CID 86582075
[4-(5-hydroxy-4-oxo-7-propanoyloxychromen-2-yl)phenyl] propanoate
CID 146662894
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxy-N-octadecylacetamide
CID 46231884
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CID 53486698

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide?
The IUPAC name of 8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide (CID 159103073) is 8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide.
What is the SMILES notation for 8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide?
The canonical SMILES for 8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide is CN(C)CCOc1ccc(-c2cc(=O)c3c(O)cc(OCCCCCCCC(=O)NO)cc3o2)cc1.
What is the InChIKey of 8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide?
The InChIKey is KDNIUPHOMCZKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O7/c1-29(2)13-15-35-20-11-9-19(10-12-20)24-18-23(31)27-22(30)16-21(17-25(27)36-24)34-14-7-5-3-4-6-8-26(32)28-33/h9-12,16-18,30,33H,3-8,13-15H2,1-2H3,(H,28,32).
What are the key properties of 8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide?
8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide has a molecular weight of 498.58 g/mol, XLogP of 4.33, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide is sourced from PubChem (CID 159103073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).